3-(4-bromophenyl)sulfonyl-N-(4-chlorophenyl)quinoxalin-2-amine

C20H13BrClN3O2S — CID 56666795

IUPAC3-(4-bromophenyl)sulfonyl-N-(4-chlorophenyl)quinoxalin-2-amine
SMILESO=S(=O)(c1ccc(Br)cc1)c1nc2ccccc2nc1Nc1ccc(Cl)cc1
InChIInChI=1S/C20H13BrClN3O2S/c21-13-5-11-16(12-6-13)28(26,27)20-19(23-15-9-7-14(22)8-10-15)24-17-3-1-2-4-18(17)25-20/h1-12H,(H,23,24)
InChIKeyIMDUIBPFVGVSQP-UHFFFAOYSA-N
MW474.77 g/mol
LogP5.62
Rot. Bonds4

About 3-(4-bromophenyl)sulfonyl-N-(4-chlorophenyl)quinoxalin-2-amine

3-(4-bromophenyl)sulfonyl-N-(4-chlorophenyl)quinoxalin-2-amine (PubChem CID 56666795) has the molecular formula C20H13BrClN3O2S and a molecular weight of 474.77 g/mol. Its IUPAC name is 3-(4-bromophenyl)sulfonyl-N-(4-chlorophenyl)quinoxalin-2-amine.

Molecular Properties

Compound Name3-(4-bromophenyl)sulfonyl-N-(4-chlorophenyl)quinoxalin-2-amine
PubChem CID56666795
Molecular FormulaC20H13BrClN3O2S
Molecular Weight474.77 g/mol
Exact Mass472.96
IUPAC Name3-(4-bromophenyl)sulfonyl-N-(4-chlorophenyl)quinoxalin-2-amine
SMILESO=S(=O)(c1ccc(Br)cc1)c1nc2ccccc2nc1Nc1ccc(Cl)cc1
InChIInChI=1S/C20H13BrClN3O2S/c21-13-5-11-16(12-6-13)28(26,27)20-19(23-15-9-7-14(22)8-10-15)24-17-3-1-2-4-18(17)25-20/h1-12H,(H,23,24)
InChIKeyIMDUIBPFVGVSQP-UHFFFAOYSA-N
XLogP5.62
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.77
LogP ≤ 55.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-bromophenyl)sulfonyl-N-[4-(trifluoromethyl)phenyl]quinoxalin-2-amine
CID 56666796
3-(benzenesulfonyl)-N-phenylquinoxalin-2-amine
CID 56670219
4-N-[3-(4-bromophenyl)sulfonylquinoxalin-2-yl]benzene-1,4-diamine
CID 56673747
3-(4-bromophenyl)sulfonyl-N-(4-fluorophenyl)quinoxalin-2-amine
CID 56680381
3-(4-bromophenyl)sulfonyl-N-phenylquinoxalin-2-amine
CID 56683748
N-(4-chlorophenyl)-3-(4-methylphenyl)sulfonylquinoxalin-2-amine
CID 56663387
3-(benzenesulfonyl)-N-(4-chlorophenyl)quinoxalin-2-amine
CID 56670249
3-(benzenesulfonyl)-N-(4-fluorophenyl)quinoxalin-2-amine
CID 56680408
2-(4-Bromophenyl)sulfonyl-3-pyrrolidin-1-ylquinoxaline
CID 70689664
9-chloro-12H-quinoxalino[2,3-b][1,4]benzothiazine
CID 2728928
4-N-[3-(benzenesulfonyl)quinoxalin-2-yl]benzene-1,4-diamine
CID 56670220
3-N-[3-(4-bromophenyl)sulfonylquinoxalin-2-yl]benzene-1,3-diamine
CID 56673748

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromophenyl)sulfonyl-N-(4-chlorophenyl)quinoxalin-2-amine?
The IUPAC name of 3-(4-bromophenyl)sulfonyl-N-(4-chlorophenyl)quinoxalin-2-amine (CID 56666795) is 3-(4-bromophenyl)sulfonyl-N-(4-chlorophenyl)quinoxalin-2-amine.
What is the SMILES notation for 3-(4-bromophenyl)sulfonyl-N-(4-chlorophenyl)quinoxalin-2-amine?
The canonical SMILES for 3-(4-bromophenyl)sulfonyl-N-(4-chlorophenyl)quinoxalin-2-amine is O=S(=O)(c1ccc(Br)cc1)c1nc2ccccc2nc1Nc1ccc(Cl)cc1.
What is the InChIKey of 3-(4-bromophenyl)sulfonyl-N-(4-chlorophenyl)quinoxalin-2-amine?
The InChIKey is IMDUIBPFVGVSQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13BrClN3O2S/c21-13-5-11-16(12-6-13)28(26,27)20-19(23-15-9-7-14(22)8-10-15)24-17-3-1-2-4-18(17)25-20/h1-12H,(H,23,24).
What are the key properties of 3-(4-bromophenyl)sulfonyl-N-(4-chlorophenyl)quinoxalin-2-amine?
3-(4-bromophenyl)sulfonyl-N-(4-chlorophenyl)quinoxalin-2-amine has a molecular weight of 474.77 g/mol, XLogP of 5.62, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromophenyl)sulfonyl-N-(4-chlorophenyl)quinoxalin-2-amine is sourced from PubChem (CID 56666795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).